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分子中的时间分辨圆二色性:实验与理论进展

Time-Resolved Circular Dichroism in Molecules: Experimental and Theoretical Advances.

作者信息

Monti Marta, Biancorosso Leonardo, Coccia Emanuele

机构信息

The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste, Italy.

Dipartimento di Scienze Chimiche e Farmaceutiche, University of Trieste, Via L. Giorgieri 1, 34127 Trieste, Italy.

出版信息

Molecules. 2024 Aug 27;29(17):4049. doi: 10.3390/molecules29174049.

Abstract

Following changes in chirality can give access to relevant information on the function or reactivity of molecular systems. Time-resolved circular dichroism (TRCD) spectroscopy proves to be a valid tool to achieve this goal. Depending on the class of molecules, different temporal ranges, spanning from seconds to femtoseconds, need to be investigated to observe such chiroptical changes. Therefore, over the years, several approaches have been adopted to cover the timescale of interest, especially based on pump-probe schemes. Moreover, various theoretical approaches have been proposed to simulate and explain TRCD spectra, including linear and non-linear response methods as well as non-adiabatic molecular dynamics. In this review, an overview on both experimental and theoretical advances in the TRCD field is provided, together with selected applications. A discussion on future theoretical developments for TRCD is also given.

摘要

手性的变化能够提供有关分子体系功能或反应性的相关信息。时间分辨圆二色光谱(TRCD)技术被证明是实现这一目标的有效工具。根据分子类别,需要研究从秒到飞秒的不同时间范围,以观察这种手性光学变化。因此,多年来人们采用了多种方法来覆盖感兴趣的时间尺度,特别是基于泵浦 - 探测方案。此外,还提出了各种理论方法来模拟和解释TRCD光谱,包括线性和非线性响应方法以及非绝热分子动力学。在本综述中,将对TRCD领域的实验和理论进展进行概述,并给出一些选定的应用实例。同时还将对TRCD未来的理论发展进行讨论。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac51/11396666/f2a68441e5e5/molecules-29-04049-g004.jpg

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